Geometry & MOs

Info

ID:	423081
PubChem CID:	135118900
Reduced:	ClN6C19H25 (1)
Stoich.:	AB6C19D25 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	79.71
Dipole, Da:	3.13
IP(EA), eV:	-8.5(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)CC2=C(NN=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations